SCHEMBL7554192

SCHEMBL7554192

CN1CCN(CCCn2cc(-c3cncc(-c4ccccc4)c3)c3cc(Cl)ccc32)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.65
FLT1 P17948 4/20 0.65
FLT4 P35916 4/20 0.65
PRKCB P05771 1/20 0.42
PRKCA P17252 1/20 0.42
GSK3B P49841 4/20 0.41
NFATC1 O95644 1/20 0.41
DYRK1A Q13627 1/20 0.41
ACLY P53396 1/20 0.41
QPCT Q16769 2/20 0.40
HTR6 P50406 2/20 0.39
SLC22A1 O15245 1/20 0.39
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
FYN P06241 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
ADRB1 P08588 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7548886 0.94 KDR (0.61) KDRFLT1FLT4PRKCBPRKCA
SCHEMBL7556474 0.93 KDR (0.61) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7553817 0.92 KDR (0.65) KDRFLT1FLT4PRKCBPRKCA
SCHEMBL7554690 0.91 KDR (0.63) KDRFLT1FLT4PRKCBPRKCA
SCHEMBL7550206 0.89 KDR (0.74) KDRFLT1FLT4PRKCBPRKCA
SCHEMBL7553410 0.89 KDR (0.80) KDRFLT1FLT4PRKCBPRKCA
SCHEMBL7549918 0.89 KDR (0.56) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7555037 0.88 KDR (0.56) KDRFLT1FLT4PRKCAGSK3B
SCHEMBL7550302 0.88 KDR (0.78) KDRFLT1FLT4GSK3BNFATC1
SCHEMBL7545638 0.87 KDR (0.72) KDRFLT1FLT4PRKCBPRKCA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP claimed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP claimed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO claimed
EP-1147107-A4 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO INC (US) 2002-05-22 EP disclosed
EP-1147107-A1 NOVEL ANGIOGENESIS INHIBITORS Merck & Co., Inc. (US) 2001-10-24 EP disclosed
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed
WO-2000043393-A1 NOVEL ANGIOGENESIS INHIBITORS MERCK & CO., INC. (US) 2000-07-27 WO disclosed